2-methyl-1,4-oxazepane-4-carboxamide

C7H14N2O2 — CID 62973061

IUPAC2-methyl-1,4-oxazepane-4-carboxamide
SMILESCC1CN(C(N)=O)CCCO1
InChIInChI=1S/C7H14N2O2/c1-6-5-9(7(8)10)3-2-4-11-6/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyZZPXNJWYHANOKR-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.18
Rot. Bonds

About 2-methyl-1,4-oxazepane-4-carboxamide

2-methyl-1,4-oxazepane-4-carboxamide (PubChem CID 62973061) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-methyl-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name2-methyl-1,4-oxazepane-4-carboxamide
PubChem CID62973061
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-methyl-1,4-oxazepane-4-carboxamide
SMILESCC1CN(C(N)=O)CCCO1
InChIInChI=1S/C7H14N2O2/c1-6-5-9(7(8)10)3-2-4-11-6/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyZZPXNJWYHANOKR-UHFFFAOYSA-N
XLogP0.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1,4-oxazepane-4-carbohydrazide
CID 62968526
1-(2-methyl-1,4-oxazepan-4-yl)-2-piperazin-1-ylethane-1,2-dione
CID 55141735
(2S)-2-amino-3,3-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)butan-1-one;hydrochloride
CID 119771958
2-(1-aminocyclopentyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 64679754
2-amino-3-methyl-1-(2-methyl-1,4-oxazepan-4-yl)pentan-1-one
CID 62973813
(2,6-dihydroxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 103890430
(3S,4S)-4-methyl-1-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 114085920
(3R)-1-(2-methyl-1,4-oxazepane-4-carbonyl)piperidine-3-carboxylic acid
CID 81120994
3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62973098
3-methylpiperidine-1-carboxamide
CID 16786142
(2S)-5-amino-2-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]-5-oxopentanoic acid
CID 62968335
3-(4-aminocyclohexyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62968735

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-oxazepane-4-carboxamide?
The IUPAC name of 2-methyl-1,4-oxazepane-4-carboxamide (CID 62973061) is 2-methyl-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for 2-methyl-1,4-oxazepane-4-carboxamide?
The canonical SMILES for 2-methyl-1,4-oxazepane-4-carboxamide is CC1CN(C(N)=O)CCCO1.
What is the InChIKey of 2-methyl-1,4-oxazepane-4-carboxamide?
The InChIKey is ZZPXNJWYHANOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6-5-9(7(8)10)3-2-4-11-6/h6H,2-5H2,1H3,(H2,8,10).
What are the key properties of 2-methyl-1,4-oxazepane-4-carboxamide?
2-methyl-1,4-oxazepane-4-carboxamide has a molecular weight of 158.20 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 62973061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).